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88967-20-8 | 1,2,4-Triazine, hexahydro-1,3-dimethyl-
CAS No: 88967-20-8 Catalog No: AG0046YR MDL No:
Product Description
Catalog Number:
AG0046YR
Chemical Name:
1,2,4-Triazine, hexahydro-1,3-dimethyl-
CAS Number:
88967-20-8
Molecular Formula:
C5H13N3
Molecular Weight:
115.1768
IUPAC Name:
1,3-dimethyl-1,2,4-triazinane
InChI:
InChI=1S/C5H13N3/c1-5-6-3-4-8(2)7-5/h5-7H,3-4H2,1-2H3
InChI Key:
NVKZVVXVNVUXIE-UHFFFAOYSA-N
SMILES:
CN1CCNC(N1)C
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.111g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.18g/mol
Monoisotopic Mass:
115.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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